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Cheminfo Stories 2021 Virtual UGM Asia Pacific Edition: Design of new compounds from the available chemical space
In computational compound design workflows, the analysis of the available chemical space is an...
Small Molecule Data Management - Cheminfo Stories APAC 2020
This presentation introduces techniques to manage small molecule data from your desktop, utilizing...
Endothelial Iron Homeostasis Regulates Blood-Brain Barrier Integrity via the HIF2α—Ve-Cadherin Pathway
ChemAxon is proud to be working with the scientific communities to foster innovation and learning...
A shared Instant JChem database to improve the drug discovery workflow
Here we will show a typical workflow, issues and solutions put forth for a Medicinal Chemistry...
Neonicotinoid insecticide design: molecular docking, multiple chemometric approaches, and toxicity relationship with Cowpea aphids
Neonicotinoids are the fastest-growing class of insecticides successfully applied in plant...
In silico study of 4- phosphorylated derivatives of 1,3-oxazole as inhibitors of Candida albicans fructose-1,6- bisphosphate aldolase II
In this study, the synthesis, in vitro anti-Candida activity and molecular modeling of...
5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology
Drugs frequently require interactions with multiple targets—via a process known as...
Identifying new topoisomerase II poison scafolds by combining publicly available toxicity data and 2D/3D-based virtual screening
Molecular descriptor (2D) and three dimensional (3D) shape based similarity methods are widely used...
Combined molecular docking and QSAR study of fused heterocyclic herbicide inhibitors of D1 protein in photosystem II of plants
Cinnoline, pyridine, pyrimidine, and triazine her-bicides were found be inhibitors of the D1...
Pharmacophore-based screening and drug repurposing exemplified on glycogen synthase kinase-3 inhibitors
The current study was conducted to elaborate a novel pharmacophore model to accurately map...
AnalytiCon: Relying on Reactor and Plexus Connect
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ChemAxon Product Portfolio
This presentation will have 2 major parts. In the very first part, David will introduce our major...